2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid

C15H20N2O4 — CID 103428848

IUPAC2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
SMILESCCN(CC(=O)NC)C(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-5-17(8-11(18)16-4)14(19)12-9(2)6-7-10(3)13(12)15(20)21/h6-7H,5,8H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyYDRGWYGZCFMIFL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.21
Rot. Bonds5

About 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid

2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid (PubChem CID 103428848) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
PubChem CID103428848
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
SMILESCCN(CC(=O)NC)C(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-5-17(8-11(18)16-4)14(19)12-9(2)6-7-10(3)13(12)15(20)21/h6-7H,5,8H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyYDRGWYGZCFMIFL-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678
N-ethyl-2-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55177278
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 66463493
2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107074115
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
CID 43430184
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
N-ethyl-2-hydroxy-5-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 54949018
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506
1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324543

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid?
The IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid (CID 103428848) is 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid?
The canonical SMILES for 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid is CCN(CC(=O)NC)C(=O)c1c(C)ccc(C)c1C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid?
The InChIKey is YDRGWYGZCFMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-17(8-11(18)16-4)14(19)12-9(2)6-7-10(3)13(12)15(20)21/h6-7H,5,8H2,1-4H3,(H,16,18)(H,20,21).
What are the key properties of 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid?
2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid is sourced from PubChem (CID 103428848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).